N-(4-bromophenyl)-5,6-dihydro-4H-1,3-selenazin-2-amine

C10H11BrN2Se — CID 11347682

IUPACN-(4-bromophenyl)-5,6-dihydro-4H-1,3-selenazin-2-amine
SMILESBrc1ccc(NC2=NCCC[Se]2)cc1
InChIInChI=1S/C10H11BrN2Se/c11-8-2-4-9(5-3-8)13-10-12-6-1-7-14-10/h2-5H,1,6-7H2,(H,12,13)
InChIKeyJTMDJLMLWBLCCH-UHFFFAOYSA-N
MW318.08 g/mol
LogP2.74
Rot. Bonds1

About N-(4-bromophenyl)-5,6-dihydro-4H-1,3-selenazin-2-amine

N-(4-bromophenyl)-5,6-dihydro-4H-1,3-selenazin-2-amine (PubChem CID 11347682) has the molecular formula C10H11BrN2Se and a molecular weight of 318.08 g/mol. Its IUPAC name is N-(4-bromophenyl)-5,6-dihydro-4H-1,3-selenazin-2-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-5,6-dihydro-4H-1,3-selenazin-2-amine
PubChem CID11347682
Molecular FormulaC10H11BrN2Se
Molecular Weight318.08 g/mol
Exact Mass317.93
IUPAC NameN-(4-bromophenyl)-5,6-dihydro-4H-1,3-selenazin-2-amine
SMILESBrc1ccc(NC2=NCCC[Se]2)cc1
InChIInChI=1S/C10H11BrN2Se/c11-8-2-4-9(5-3-8)13-10-12-6-1-7-14-10/h2-5H,1,6-7H2,(H,12,13)
InChIKeyJTMDJLMLWBLCCH-UHFFFAOYSA-N
XLogP2.74
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.08
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromophenyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 131012420
3-N,6-N-bis(4-bromophenyl)pyridazine-3,6-diamine
CID 6413000
1-(4-bromophenyl)-3-(3,4-dihydro-2H-pyrrol-5-yl)urea
CID 21406183
N-(4-bromophenyl)pyrimidin-5-amine
CID 115046650
1-N,4-N-bis(4-bromophenyl)-2,3,5,6-tetrachlorobenzene-1,4-diamine
CID 139138135
N-(4-bromophenyl)-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 103967610
N-(4-bromophenyl)-5-cyclopropyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63296241
2-[(4-bromophenyl)methyl]-1,4,5,6-tetrahydropyrimidine
CID 126982340
4-N-(4-bromophenyl)-1,3,5-triazaspiro[5.5]undeca-1,4-diene-2,4-diamine chloride
CID 53347378
N-(4-bromophenyl)-2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 117101439
N-[(E)-(4-bromophenyl)methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine chloride
CID 21236185
4-(azepan-1-yl)-N-(4-bromophenyl)pyrimidin-2-amine
CID 112901564

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-5,6-dihydro-4H-1,3-selenazin-2-amine?
The IUPAC name of N-(4-bromophenyl)-5,6-dihydro-4H-1,3-selenazin-2-amine (CID 11347682) is N-(4-bromophenyl)-5,6-dihydro-4H-1,3-selenazin-2-amine.
What is the SMILES notation for N-(4-bromophenyl)-5,6-dihydro-4H-1,3-selenazin-2-amine?
The canonical SMILES for N-(4-bromophenyl)-5,6-dihydro-4H-1,3-selenazin-2-amine is Brc1ccc(NC2=NCCC[Se]2)cc1.
What is the InChIKey of N-(4-bromophenyl)-5,6-dihydro-4H-1,3-selenazin-2-amine?
The InChIKey is JTMDJLMLWBLCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2Se/c11-8-2-4-9(5-3-8)13-10-12-6-1-7-14-10/h2-5H,1,6-7H2,(H,12,13).
What are the key properties of N-(4-bromophenyl)-5,6-dihydro-4H-1,3-selenazin-2-amine?
N-(4-bromophenyl)-5,6-dihydro-4H-1,3-selenazin-2-amine has a molecular weight of 318.08 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-5,6-dihydro-4H-1,3-selenazin-2-amine is sourced from PubChem (CID 11347682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).